1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene

C10H8N2 — CID 118138878

IUPAC1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene
SMILESC1=CCn2c(nc3c2=CC=C3)=C1
InChIInChI=1S/C10H8N2/c1-2-7-12-9-5-3-4-8(9)11-10(12)6-1/h1-6H,7H2
InChIKeyZRQDDVOIWNDSRE-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.04
Rot. Bonds

About 1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene

1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene (PubChem CID 118138878) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene.

Molecular Properties

Compound Name1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene
PubChem CID118138878
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene
SMILESC1=CCn2c(nc3c2=CC=C3)=C1
InChIInChI=1S/C10H8N2/c1-2-7-12-9-5-3-4-8(9)11-10(12)6-1/h1-6H,7H2
InChIKeyZRQDDVOIWNDSRE-UHFFFAOYSA-N
XLogP0.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene?
The IUPAC name of 1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene (CID 118138878) is 1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene.
What is the SMILES notation for 1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene?
The canonical SMILES for 1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene is C1=CCn2c(nc3c2=CC=C3)=C1.
What is the InChIKey of 1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene?
The InChIKey is ZRQDDVOIWNDSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-2-7-12-9-5-3-4-8(9)11-10(12)6-1/h1-6H,7H2.
What are the key properties of 1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene?
1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene has a molecular weight of 156.19 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene is sourced from PubChem (CID 118138878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).